SCHEMBL8569202

SCHEMBL8569202

COCOCC1CNc2ccccc2O1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASR P41180 1/20 0.44
LMNA P02545 2/20 0.42
HTR1A P08908 3/20 0.40
HPGD P15428 1/20 0.40
MAPT P10636 1/20 0.39
NISCH Q9Y2I1 1/20 0.39
PKM P14618 1/20 0.38
BRD4 O60885 1/20 0.36
CREBBP Q92793 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.34
PARP1 P09874 1/20 0.33
MAPK1 P28482 1/20 0.32
ADRA2A P08913 1/20 0.31
ADRA2B P18089 1/20 0.31
ADRA2C P18825 1/20 0.31
TSHR P16473 1/20 0.31
GAA P10253 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
MAOA P21397 1/20 0.31
SLC6A2 P23975 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8569211 1.00 CASR (0.44) CASRLMNAHTR1AHPGDMAPT
SCHEMBL8562489 0.88 CASR (0.47) CASRLMNAHTR1AHPGDMAPT
SCHEMBL8562491 0.88 CASR (0.47) CASRLMNAHTR1AHPGDMAPT
SCHEMBL8562492 0.88 CASR (0.47) CASRLMNAHTR1AHPGDMAPT
SCHEMBL8571070 0.83 HPGD (0.46) CASRLMNAHTR1AHPGDMAPT
SCHEMBL8571067 0.83 HPGD (0.46) CASRLMNAHTR1AHPGDMAPT
SCHEMBL8571072 0.83 HPGD (0.46) CASRLMNAHTR1AHPGDMAPT
SCHEMBL8569345 0.79 CASR (0.45) CASRLMNAHTR1AHPGDNISCH
SCHEMBL8565687 0.79 CASR (0.45) CASRLMNAHTR1AHPGDNISCH
SCHEMBL8565689 0.79 CASR (0.45) CASRLMNAHTR1AHPGDNISCH

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5719141-A HYPOTENSIVE AGENTS NOVARTIS CORPORATION (US) 1998-02-17 US disclosed
EP-0702004-A2 2,9-diamino- and 2-amino-8-carbamoyl-4-hydroxy-alkanoic acid amid derivatives CIBA-GEIGY AG (CH) 1996-03-20 EP disclosed